SCHEMBL13740202

SCHEMBL13740202

N=C(N)C1C2CCCN1CC2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.34
SLC18A3 Q16572 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21068062 0.79 SLC18A3 (0.34) SLC18A3
SCHEMBL1891737 0.79 SLC18A3 (0.34) SLC18A3
SCHEMBL2148090 0.72 ALDH1A1 (0.37) SLC18A3
Hydrochloric Acid SCHEMBL6607826 0.71 ALDH1A1 (0.40) SLC18A3
SCHEMBL6120938 0.71 SLC18A3 (0.34) SLC18A3
SCHEMBL2148202 0.67 ALDH1A1 (0.39)
SCHEMBL19468663 0.66
SCHEMBL18952525 0.66
SCHEMBL3454065 0.63 ALDH1A1 (0.42)
SCHEMBL3453171 0.63 PREP (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012152854-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-11-15 WO claimed